ethyl 6-methyl-2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D136-0110 |
| Compound Name: | ethyl 6-methyl-2-[(1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C28 H27 N O5 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1ccc2C(=O)OC(Cc2c1)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1283 |
| logD: | 1.8223 |
| logSw: | -5.6043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.351 |
| InChI Key: | QUUUROHMOGNVHO-UHFFFAOYSA-N |